SMILES:
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](CC2CCCCC2)[C@H](O)CNCc2cccc(Br)c2)c1.ClMolecular Processing
Molecular formula
C32H47BrClN3O3
Molecular weight
637.1
Exact mass
635.2489
XLogP
6.66
TPSA
81.67
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
14
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
2
Fraction Csp3
0.562
Molar refractivity
169.21
Supplementary Information
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